USER MOD reduce.3.24.130724 H: found=0, std=0, add=353, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 354 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 483 THR OG1 : rot -125:sc= 1.29 USER MOD Set 1.2: C 489 THR OG1 : rot -54:sc= 0.847 USER MOD Single : C 456 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.5) USER MOD Single : C 458 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 460 MET CE :methyl 166:sc= -3.54! (180deg=-4.83!) USER MOD Single : C 462 HIS : no HD1:sc= 0 X(o=0,f=-0.089) USER MOD Single : C 463 GLN : amide:sc= -0.198 K(o=-0.2,f=-4!) USER MOD Single : C 465 GLN : amide:sc= -0.541 K(o=-0.54,f=-1.6) USER MOD Single : C 467 MET CE :methyl -173:sc= -1.11 (180deg=-1.13) USER MOD Single : C 470 GLN : amide:sc= -0.0665 K(o=-0.067,f=-0.71) USER MOD Single : C 473 TYR OH : rot 48:sc= 1.26 USER MOD Single : C 474 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 478 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : C 481 GLN : amide:sc= -0.169 X(o=-0.17,f=-0.6) USER MOD Single : C 485 SER OG : rot 150:sc= -0.613 USER MOD Single : C 490 THR OG1 : rot 72:sc= 1.18 USER MOD Single : C 492 ASN : amide:sc= -4.02! C(o=-4!,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 39 N GLN C 456 -10.120 -1.271 8.885 1.00 0.00 N ATOM 40 CA GLN C 456 -11.083 -1.744 9.870 1.00 0.00 C ATOM 41 C GLN C 456 -11.940 -2.846 9.271 1.00 0.00 C ATOM 42 O GLN C 456 -12.271 -3.817 9.938 1.00 0.00 O ATOM 43 CB GLN C 456 -11.965 -0.601 10.370 1.00 0.00 C ATOM 44 CG GLN C 456 -11.211 0.449 11.161 1.00 0.00 C ATOM 45 CD GLN C 456 -10.536 -0.122 12.394 1.00 0.00 C ATOM 46 OE1 GLN C 456 -9.395 -0.580 12.335 1.00 0.00 O ATOM 47 NE2 GLN C 456 -11.222 -0.081 13.515 1.00 0.00 N ATOM 0 HA GLN C 456 -10.532 -2.142 10.722 1.00 0.00 H new ATOM 0 HB2 GLN C 456 -12.445 -0.124 9.516 1.00 0.00 H new ATOM 0 HB3 GLN C 456 -12.759 -1.012 10.993 1.00 0.00 H new ATOM 0 HG2 GLN C 456 -10.459 0.910 10.521 1.00 0.00 H new ATOM 0 HG3 GLN C 456 -11.901 1.237 11.461 1.00 0.00 H new ATOM 0 HE21 GLN C 456 -12.165 0.307 13.522 1.00 0.00 H new ATOM 0 HE22 GLN C 456 -10.811 -0.437 14.378 1.00 0.00 H new ATOM 56 N LEU C 457 -12.280 -2.684 7.998 1.00 0.00 N ATOM 57 CA LEU C 457 -13.065 -3.670 7.262 1.00 0.00 C ATOM 58 C LEU C 457 -12.373 -5.028 7.280 1.00 0.00 C ATOM 59 O LEU C 457 -13.005 -6.059 7.526 1.00 0.00 O ATOM 60 CB LEU C 457 -13.269 -3.204 5.814 1.00 0.00 C ATOM 61 CG LEU C 457 -14.438 -2.234 5.548 1.00 0.00 C ATOM 62 CD1 LEU C 457 -15.749 -2.975 5.549 1.00 0.00 C ATOM 63 CD2 LEU C 457 -14.477 -1.107 6.566 1.00 0.00 C ATOM 0 H LEU C 457 -12.020 -1.866 7.446 1.00 0.00 H new ATOM 0 HA LEU C 457 -14.037 -3.770 7.746 1.00 0.00 H new ATOM 0 HB2 LEU C 457 -12.349 -2.725 5.480 1.00 0.00 H new ATOM 0 HB3 LEU C 457 -13.413 -4.087 5.191 1.00 0.00 H new ATOM 0 HG LEU C 457 -14.277 -1.792 4.565 1.00 0.00 H new ATOM 0 HD11 LEU C 457 -16.563 -2.275 5.360 1.00 0.00 H new ATOM 0 HD12 LEU C 457 -15.737 -3.737 4.769 1.00 0.00 H new ATOM 0 HD13 LEU C 457 -15.897 -3.450 6.519 1.00 0.00 H new ATOM 0 HD21 LEU C 457 -15.314 -0.445 6.344 1.00 0.00 H new ATOM 0 HD22 LEU C 457 -14.599 -1.524 7.566 1.00 0.00 H new ATOM 0 HD23 LEU C 457 -13.546 -0.542 6.519 1.00 0.00 H new ATOM 75 N ASN C 458 -11.066 -5.016 7.030 1.00 0.00 N ATOM 76 CA ASN C 458 -10.261 -6.237 7.055 1.00 0.00 C ATOM 77 C ASN C 458 -10.266 -6.847 8.441 1.00 0.00 C ATOM 78 O ASN C 458 -10.466 -8.051 8.599 1.00 0.00 O ATOM 79 CB ASN C 458 -8.817 -5.959 6.614 1.00 0.00 C ATOM 80 CG ASN C 458 -8.666 -5.827 5.109 1.00 0.00 C ATOM 81 OD1 ASN C 458 -8.395 -6.807 4.408 1.00 0.00 O ATOM 82 ND2 ASN C 458 -8.829 -4.627 4.600 1.00 0.00 N ATOM 0 H ASN C 458 -10.539 -4.172 6.807 1.00 0.00 H new ATOM 0 HA ASN C 458 -10.706 -6.942 6.353 1.00 0.00 H new ATOM 0 HB2 ASN C 458 -8.469 -5.042 7.089 1.00 0.00 H new ATOM 0 HB3 ASN C 458 -8.174 -6.765 6.968 1.00 0.00 H new ATOM 0 HD21 ASN C 458 -8.732 -4.482 3.595 1.00 0.00 H new ATOM 0 HD22 ASN C 458 -9.052 -3.840 5.210 1.00 0.00 H new ATOM 89 N ALA C 459 -10.062 -6.005 9.442 1.00 0.00 N ATOM 90 CA ALA C 459 -10.035 -6.444 10.829 1.00 0.00 C ATOM 91 C ALA C 459 -11.365 -7.059 11.245 1.00 0.00 C ATOM 92 O ALA C 459 -11.398 -7.990 12.031 1.00 0.00 O ATOM 93 CB ALA C 459 -9.682 -5.281 11.742 1.00 0.00 C ATOM 0 H ALA C 459 -9.911 -5.004 9.318 1.00 0.00 H new ATOM 0 HA ALA C 459 -9.269 -7.214 10.921 1.00 0.00 H new ATOM 0 HB1 ALA C 459 -9.665 -5.623 12.777 1.00 0.00 H new ATOM 0 HB2 ALA C 459 -8.700 -4.892 11.472 1.00 0.00 H new ATOM 0 HB3 ALA C 459 -10.427 -4.493 11.632 1.00 0.00 H new ATOM 99 N MET C 460 -12.459 -6.532 10.716 1.00 0.00 N ATOM 100 CA MET C 460 -13.779 -7.042 11.043 1.00 0.00 C ATOM 101 C MET C 460 -13.965 -8.477 10.550 1.00 0.00 C ATOM 102 O MET C 460 -14.447 -9.340 11.284 1.00 0.00 O ATOM 103 CB MET C 460 -14.872 -6.136 10.468 1.00 0.00 C ATOM 104 CG MET C 460 -14.925 -4.753 11.106 1.00 0.00 C ATOM 105 SD MET C 460 -16.522 -3.942 10.888 1.00 0.00 S ATOM 106 CE MET C 460 -16.631 -3.892 9.109 1.00 0.00 C ATOM 0 H MET C 460 -12.457 -5.752 10.059 1.00 0.00 H new ATOM 0 HA MET C 460 -13.866 -7.047 12.130 1.00 0.00 H new ATOM 0 HB2 MET C 460 -14.712 -6.025 9.396 1.00 0.00 H new ATOM 0 HB3 MET C 460 -15.839 -6.622 10.597 1.00 0.00 H new ATOM 0 HG2 MET C 460 -14.710 -4.841 12.171 1.00 0.00 H new ATOM 0 HG3 MET C 460 -14.144 -4.128 10.673 1.00 0.00 H new ATOM 0 HE1 MET C 460 -17.653 -3.653 8.814 1.00 0.00 H new ATOM 0 HE2 MET C 460 -15.954 -3.129 8.724 1.00 0.00 H new ATOM 0 HE3 MET C 460 -16.353 -4.863 8.700 1.00 0.00 H new ATOM 116 N ALA C 461 -13.554 -8.732 9.316 1.00 0.00 N ATOM 117 CA ALA C 461 -13.692 -10.057 8.717 1.00 0.00 C ATOM 118 C ALA C 461 -12.753 -11.075 9.366 1.00 0.00 C ATOM 119 O ALA C 461 -12.908 -12.282 9.174 1.00 0.00 O ATOM 120 CB ALA C 461 -13.435 -9.987 7.225 1.00 0.00 C ATOM 0 H ALA C 461 -13.121 -8.038 8.707 1.00 0.00 H new ATOM 0 HA ALA C 461 -14.714 -10.392 8.892 1.00 0.00 H new ATOM 0 HB1 ALA C 461 -13.541 -10.981 6.791 1.00 0.00 H new ATOM 0 HB2 ALA C 461 -14.154 -9.311 6.763 1.00 0.00 H new ATOM 0 HB3 ALA C 461 -12.425 -9.619 7.047 1.00 0.00 H new ATOM 126 N HIS C 462 -11.791 -10.580 10.137 1.00 0.00 N ATOM 127 CA HIS C 462 -10.810 -11.431 10.809 1.00 0.00 C ATOM 128 C HIS C 462 -11.499 -12.454 11.706 1.00 0.00 C ATOM 129 O HIS C 462 -11.330 -13.657 11.537 1.00 0.00 O ATOM 130 CB HIS C 462 -9.858 -10.571 11.648 1.00 0.00 C ATOM 131 CG HIS C 462 -8.641 -11.294 12.131 1.00 0.00 C ATOM 132 ND1 HIS C 462 -8.617 -12.082 13.268 1.00 0.00 N ATOM 133 CD2 HIS C 462 -7.395 -11.344 11.617 1.00 0.00 C ATOM 134 CE1 HIS C 462 -7.406 -12.581 13.424 1.00 0.00 C ATOM 135 NE2 HIS C 462 -6.648 -12.148 12.436 1.00 0.00 N ATOM 0 H HIS C 462 -11.668 -9.583 10.315 1.00 0.00 H new ATOM 0 HA HIS C 462 -10.243 -11.964 10.046 1.00 0.00 H new ATOM 0 HB2 HIS C 462 -9.545 -9.712 11.055 1.00 0.00 H new ATOM 0 HB3 HIS C 462 -10.401 -10.182 12.509 1.00 0.00 H new ATOM 0 HD2 HIS C 462 -7.050 -10.843 10.725 1.00 0.00 H new ATOM 0 HE1 HIS C 462 -7.089 -13.233 14.225 1.00 0.00 H new ATOM 0 HE2 HIS C 462 -5.663 -12.376 12.303 1.00 0.00 H new ATOM 144 N GLN C 463 -12.288 -11.960 12.643 1.00 0.00 N ATOM 145 CA GLN C 463 -12.988 -12.817 13.602 1.00 0.00 C ATOM 146 C GLN C 463 -13.985 -13.737 12.917 1.00 0.00 C ATOM 147 O GLN C 463 -14.202 -14.862 13.363 1.00 0.00 O ATOM 148 CB GLN C 463 -13.682 -11.980 14.684 1.00 0.00 C ATOM 149 CG GLN C 463 -12.725 -11.370 15.701 1.00 0.00 C ATOM 150 CD GLN C 463 -11.769 -10.359 15.096 1.00 0.00 C ATOM 151 OE1 GLN C 463 -12.111 -9.653 14.154 1.00 0.00 O ATOM 152 NE2 GLN C 463 -10.562 -10.298 15.616 1.00 0.00 N ATOM 0 H GLN C 463 -12.465 -10.963 12.766 1.00 0.00 H new ATOM 0 HA GLN C 463 -12.236 -13.444 14.080 1.00 0.00 H new ATOM 0 HB2 GLN C 463 -14.246 -11.180 14.205 1.00 0.00 H new ATOM 0 HB3 GLN C 463 -14.403 -12.607 15.209 1.00 0.00 H new ATOM 0 HG2 GLN C 463 -13.303 -10.887 16.489 1.00 0.00 H new ATOM 0 HG3 GLN C 463 -12.150 -12.167 16.171 1.00 0.00 H new ATOM 0 HE21 GLN C 463 -10.313 -10.901 16.400 1.00 0.00 H new ATOM 0 HE22 GLN C 463 -9.875 -9.647 15.235 1.00 0.00 H new ATOM 161 N ILE C 464 -14.586 -13.268 11.835 1.00 0.00 N ATOM 162 CA ILE C 464 -15.528 -14.090 11.095 1.00 0.00 C ATOM 163 C ILE C 464 -14.801 -15.263 10.453 1.00 0.00 C ATOM 164 O ILE C 464 -15.272 -16.394 10.503 1.00 0.00 O ATOM 165 CB ILE C 464 -16.266 -13.296 9.997 1.00 0.00 C ATOM 166 CG1 ILE C 464 -16.982 -12.074 10.588 1.00 0.00 C ATOM 167 CG2 ILE C 464 -17.267 -14.197 9.279 1.00 0.00 C ATOM 168 CD1 ILE C 464 -17.653 -11.221 9.538 1.00 0.00 C ATOM 0 H ILE C 464 -14.440 -12.333 11.454 1.00 0.00 H new ATOM 0 HA ILE C 464 -16.270 -14.445 11.810 1.00 0.00 H new ATOM 0 HB ILE C 464 -15.527 -12.942 9.278 1.00 0.00 H new ATOM 0 HG12 ILE C 464 -17.729 -12.410 11.308 1.00 0.00 H new ATOM 0 HG13 ILE C 464 -16.261 -11.467 11.136 1.00 0.00 H new ATOM 0 HG21 ILE C 464 -17.782 -13.626 8.506 1.00 0.00 H new ATOM 0 HG22 ILE C 464 -16.740 -15.034 8.821 1.00 0.00 H new ATOM 0 HG23 ILE C 464 -17.995 -14.576 9.996 1.00 0.00 H new ATOM 0 HD11 ILE C 464 -18.142 -10.373 10.017 1.00 0.00 H new ATOM 0 HD12 ILE C 464 -16.906 -10.858 8.832 1.00 0.00 H new ATOM 0 HD13 ILE C 464 -18.396 -11.816 9.006 1.00 0.00 H new ATOM 180 N GLN C 465 -13.637 -14.985 9.875 1.00 0.00 N ATOM 181 CA GLN C 465 -12.823 -16.013 9.231 1.00 0.00 C ATOM 182 C GLN C 465 -12.397 -17.068 10.245 1.00 0.00 C ATOM 183 O GLN C 465 -12.309 -18.256 9.931 1.00 0.00 O ATOM 184 CB GLN C 465 -11.587 -15.383 8.590 1.00 0.00 C ATOM 185 CG GLN C 465 -10.752 -16.360 7.778 1.00 0.00 C ATOM 186 CD GLN C 465 -11.524 -16.973 6.622 1.00 0.00 C ATOM 187 OE1 GLN C 465 -11.260 -18.105 6.218 1.00 0.00 O ATOM 188 NE2 GLN C 465 -12.473 -16.233 6.080 1.00 0.00 N ATOM 0 H GLN C 465 -13.233 -14.049 9.839 1.00 0.00 H new ATOM 0 HA GLN C 465 -13.422 -16.491 8.456 1.00 0.00 H new ATOM 0 HB2 GLN C 465 -11.902 -14.564 7.944 1.00 0.00 H new ATOM 0 HB3 GLN C 465 -10.964 -14.950 9.373 1.00 0.00 H new ATOM 0 HG2 GLN C 465 -9.873 -15.845 7.390 1.00 0.00 H new ATOM 0 HG3 GLN C 465 -10.393 -17.155 8.432 1.00 0.00 H new ATOM 0 HE21 GLN C 465 -12.662 -15.299 6.444 1.00 0.00 H new ATOM 0 HE22 GLN C 465 -13.018 -16.595 5.297 1.00 0.00 H new ATOM 197 N GLU C 466 -12.140 -16.617 11.462 1.00 0.00 N ATOM 198 CA GLU C 466 -11.747 -17.493 12.551 1.00 0.00 C ATOM 199 C GLU C 466 -12.855 -18.497 12.869 1.00 0.00 C ATOM 200 O GLU C 466 -12.589 -19.629 13.269 1.00 0.00 O ATOM 201 CB GLU C 466 -11.432 -16.661 13.793 1.00 0.00 C ATOM 202 CG GLU C 466 -10.263 -15.708 13.624 1.00 0.00 C ATOM 203 CD GLU C 466 -8.972 -16.421 13.302 1.00 0.00 C ATOM 204 OE1 GLU C 466 -8.434 -17.118 14.192 1.00 0.00 O ATOM 205 OE2 GLU C 466 -8.483 -16.290 12.165 1.00 0.00 O ATOM 0 H GLU C 466 -12.198 -15.632 11.722 1.00 0.00 H new ATOM 0 HA GLU C 466 -10.859 -18.046 12.246 1.00 0.00 H new ATOM 0 HB2 GLU C 466 -12.317 -16.087 14.066 1.00 0.00 H new ATOM 0 HB3 GLU C 466 -11.220 -17.334 14.623 1.00 0.00 H new ATOM 0 HG2 GLU C 466 -10.490 -14.999 12.828 1.00 0.00 H new ATOM 0 HG3 GLU C 466 -10.136 -15.130 14.539 1.00 0.00 H new ATOM 212 N MET C 467 -14.095 -18.074 12.683 1.00 0.00 N ATOM 213 CA MET C 467 -15.240 -18.915 12.980 1.00 0.00 C ATOM 214 C MET C 467 -15.711 -19.673 11.746 1.00 0.00 C ATOM 215 O MET C 467 -16.236 -20.779 11.852 1.00 0.00 O ATOM 216 CB MET C 467 -16.391 -18.070 13.518 1.00 0.00 C ATOM 217 CG MET C 467 -16.054 -17.267 14.759 1.00 0.00 C ATOM 218 SD MET C 467 -17.475 -16.354 15.398 1.00 0.00 S ATOM 219 CE MET C 467 -17.867 -15.303 13.999 1.00 0.00 C ATOM 0 H MET C 467 -14.333 -17.149 12.326 1.00 0.00 H new ATOM 0 HA MET C 467 -14.927 -19.638 13.734 1.00 0.00 H new ATOM 0 HB2 MET C 467 -16.719 -17.386 12.736 1.00 0.00 H new ATOM 0 HB3 MET C 467 -17.233 -18.725 13.742 1.00 0.00 H new ATOM 0 HG2 MET C 467 -15.680 -17.938 15.532 1.00 0.00 H new ATOM 0 HG3 MET C 467 -15.251 -16.568 14.528 1.00 0.00 H new ATOM 0 HE1 MET C 467 -18.644 -14.593 14.284 1.00 0.00 H new ATOM 0 HE2 MET C 467 -16.974 -14.759 13.691 1.00 0.00 H new ATOM 0 HE3 MET C 467 -18.222 -15.917 13.171 1.00 0.00 H new ATOM 229 N PHE C 468 -15.532 -19.074 10.582 1.00 0.00 N ATOM 230 CA PHE C 468 -15.994 -19.661 9.340 1.00 0.00 C ATOM 231 C PHE C 468 -14.909 -19.666 8.268 1.00 0.00 C ATOM 232 O PHE C 468 -14.840 -18.761 7.442 1.00 0.00 O ATOM 233 CB PHE C 468 -17.232 -18.918 8.826 1.00 0.00 C ATOM 234 CG PHE C 468 -18.466 -19.151 9.648 1.00 0.00 C ATOM 235 CD1 PHE C 468 -18.746 -18.354 10.742 1.00 0.00 C ATOM 236 CD2 PHE C 468 -19.344 -20.170 9.325 1.00 0.00 C ATOM 237 CE1 PHE C 468 -19.877 -18.568 11.500 1.00 0.00 C ATOM 238 CE2 PHE C 468 -20.478 -20.390 10.079 1.00 0.00 C ATOM 239 CZ PHE C 468 -20.746 -19.587 11.168 1.00 0.00 C ATOM 0 H PHE C 468 -15.066 -18.174 10.473 1.00 0.00 H new ATOM 0 HA PHE C 468 -16.254 -20.698 9.552 1.00 0.00 H new ATOM 0 HB2 PHE C 468 -17.019 -17.849 8.803 1.00 0.00 H new ATOM 0 HB3 PHE C 468 -17.428 -19.226 7.799 1.00 0.00 H new ATOM 0 HD1 PHE C 468 -18.070 -17.554 11.006 1.00 0.00 H new ATOM 0 HD2 PHE C 468 -19.139 -20.801 8.473 1.00 0.00 H new ATOM 0 HE1 PHE C 468 -20.083 -17.939 12.353 1.00 0.00 H new ATOM 0 HE2 PHE C 468 -21.155 -21.190 9.817 1.00 0.00 H new ATOM 0 HZ PHE C 468 -21.634 -19.755 11.759 1.00 0.00 H new ATOM 249 N PRO C 469 -14.031 -20.679 8.287 1.00 0.00 N ATOM 250 CA PRO C 469 -12.994 -20.844 7.273 1.00 0.00 C ATOM 251 C PRO C 469 -13.584 -21.319 5.950 1.00 0.00 C ATOM 252 O PRO C 469 -12.907 -21.337 4.914 1.00 0.00 O ATOM 253 CB PRO C 469 -12.076 -21.929 7.855 1.00 0.00 C ATOM 254 CG PRO C 469 -12.510 -22.096 9.267 1.00 0.00 C ATOM 255 CD PRO C 469 -13.948 -21.706 9.311 1.00 0.00 C ATOM 0 HA PRO C 469 -12.477 -19.908 7.060 1.00 0.00 H new ATOM 0 HB2 PRO C 469 -12.171 -22.863 7.301 1.00 0.00 H new ATOM 0 HB3 PRO C 469 -11.029 -21.630 7.798 1.00 0.00 H new ATOM 0 HG2 PRO C 469 -12.376 -23.127 9.596 1.00 0.00 H new ATOM 0 HG3 PRO C 469 -11.917 -21.470 9.933 1.00 0.00 H new ATOM 0 HD2 PRO C 469 -14.603 -22.549 9.093 1.00 0.00 H new ATOM 0 HD3 PRO C 469 -14.235 -21.325 10.291 1.00 0.00 H new ATOM 263 N GLN C 470 -14.856 -21.717 6.002 1.00 0.00 N ATOM 264 CA GLN C 470 -15.579 -22.197 4.828 1.00 0.00 C ATOM 265 C GLN C 470 -15.711 -21.102 3.772 1.00 0.00 C ATOM 266 O GLN C 470 -15.862 -21.386 2.585 1.00 0.00 O ATOM 267 CB GLN C 470 -16.969 -22.712 5.227 1.00 0.00 C ATOM 268 CG GLN C 470 -17.884 -21.640 5.809 1.00 0.00 C ATOM 269 CD GLN C 470 -19.229 -22.188 6.259 1.00 0.00 C ATOM 270 OE1 GLN C 470 -19.340 -23.346 6.668 1.00 0.00 O ATOM 271 NE2 GLN C 470 -20.260 -21.362 6.187 1.00 0.00 N ATOM 0 H GLN C 470 -15.411 -21.715 6.858 1.00 0.00 H new ATOM 0 HA GLN C 470 -15.005 -23.018 4.398 1.00 0.00 H new ATOM 0 HB2 GLN C 470 -17.449 -23.148 4.351 1.00 0.00 H new ATOM 0 HB3 GLN C 470 -16.853 -23.512 5.958 1.00 0.00 H new ATOM 0 HG2 GLN C 470 -17.388 -21.168 6.657 1.00 0.00 H new ATOM 0 HG3 GLN C 470 -18.046 -20.863 5.062 1.00 0.00 H new ATOM 0 HE21 GLN C 470 -20.128 -20.411 5.843 1.00 0.00 H new ATOM 0 HE22 GLN C 470 -21.186 -21.676 6.475 1.00 0.00 H new ATOM 280 N VAL C 471 -15.643 -19.862 4.207 1.00 0.00 N ATOM 281 CA VAL C 471 -15.774 -18.741 3.307 1.00 0.00 C ATOM 282 C VAL C 471 -14.465 -17.945 3.229 1.00 0.00 C ATOM 283 O VAL C 471 -13.901 -17.563 4.249 1.00 0.00 O ATOM 284 CB VAL C 471 -16.952 -17.815 3.726 1.00 0.00 C ATOM 285 CG1 VAL C 471 -16.806 -17.355 5.168 1.00 0.00 C ATOM 286 CG2 VAL C 471 -17.068 -16.623 2.788 1.00 0.00 C ATOM 0 H VAL C 471 -15.497 -19.606 5.184 1.00 0.00 H new ATOM 0 HA VAL C 471 -15.994 -19.138 2.316 1.00 0.00 H new ATOM 0 HB VAL C 471 -17.871 -18.396 3.652 1.00 0.00 H new ATOM 0 HG11 VAL C 471 -17.644 -16.710 5.431 1.00 0.00 H new ATOM 0 HG12 VAL C 471 -16.796 -18.223 5.827 1.00 0.00 H new ATOM 0 HG13 VAL C 471 -15.873 -16.802 5.281 1.00 0.00 H new ATOM 0 HG21 VAL C 471 -17.899 -15.992 3.103 1.00 0.00 H new ATOM 0 HG22 VAL C 471 -16.143 -16.047 2.816 1.00 0.00 H new ATOM 0 HG23 VAL C 471 -17.245 -16.975 1.772 1.00 0.00 H new ATOM 296 N PRO C 472 -13.949 -17.734 2.004 1.00 0.00 N ATOM 297 CA PRO C 472 -12.719 -16.960 1.769 1.00 0.00 C ATOM 298 C PRO C 472 -12.752 -15.585 2.434 1.00 0.00 C ATOM 299 O PRO C 472 -13.784 -14.910 2.437 1.00 0.00 O ATOM 300 CB PRO C 472 -12.692 -16.807 0.251 1.00 0.00 C ATOM 301 CG PRO C 472 -13.423 -17.994 -0.249 1.00 0.00 C ATOM 302 CD PRO C 472 -14.509 -18.258 0.751 1.00 0.00 C ATOM 0 HA PRO C 472 -11.843 -17.455 2.187 1.00 0.00 H new ATOM 0 HB2 PRO C 472 -13.173 -15.881 -0.064 1.00 0.00 H new ATOM 0 HB3 PRO C 472 -11.670 -16.780 -0.128 1.00 0.00 H new ATOM 0 HG2 PRO C 472 -13.840 -17.808 -1.239 1.00 0.00 H new ATOM 0 HG3 PRO C 472 -12.758 -18.853 -0.340 1.00 0.00 H new ATOM 0 HD2 PRO C 472 -15.436 -17.751 0.482 1.00 0.00 H new ATOM 0 HD3 PRO C 472 -14.737 -19.321 0.826 1.00 0.00 H new ATOM 310 N TYR C 473 -11.609 -15.181 2.971 1.00 0.00 N ATOM 311 CA TYR C 473 -11.454 -13.904 3.679 1.00 0.00 C ATOM 312 C TYR C 473 -11.983 -12.736 2.837 1.00 0.00 C ATOM 313 O TYR C 473 -12.695 -11.863 3.337 1.00 0.00 O ATOM 314 CB TYR C 473 -9.967 -13.684 3.993 1.00 0.00 C ATOM 315 CG TYR C 473 -9.679 -12.700 5.110 1.00 0.00 C ATOM 316 CD1 TYR C 473 -9.670 -11.329 4.888 1.00 0.00 C ATOM 317 CD2 TYR C 473 -9.391 -13.155 6.386 1.00 0.00 C ATOM 318 CE1 TYR C 473 -9.382 -10.443 5.911 1.00 0.00 C ATOM 319 CE2 TYR C 473 -9.108 -12.280 7.413 1.00 0.00 C ATOM 320 CZ TYR C 473 -9.103 -10.929 7.173 1.00 0.00 C ATOM 321 OH TYR C 473 -8.806 -10.058 8.197 1.00 0.00 O ATOM 0 H TYR C 473 -10.751 -15.731 2.931 1.00 0.00 H new ATOM 0 HA TYR C 473 -12.032 -13.943 4.602 1.00 0.00 H new ATOM 0 HB2 TYR C 473 -9.522 -14.644 4.253 1.00 0.00 H new ATOM 0 HB3 TYR C 473 -9.469 -13.337 3.088 1.00 0.00 H new ATOM 0 HD1 TYR C 473 -9.891 -10.949 3.902 1.00 0.00 H new ATOM 0 HD2 TYR C 473 -9.388 -14.217 6.580 1.00 0.00 H new ATOM 0 HE1 TYR C 473 -9.375 -9.379 5.724 1.00 0.00 H new ATOM 0 HE2 TYR C 473 -8.891 -12.656 8.402 1.00 0.00 H new ATOM 0 HH TYR C 473 -9.466 -9.334 8.213 1.00 0.00 H new ATOM 331 N HIS C 474 -11.652 -12.749 1.556 1.00 0.00 N ATOM 332 CA HIS C 474 -12.038 -11.681 0.642 1.00 0.00 C ATOM 333 C HIS C 474 -13.537 -11.693 0.375 1.00 0.00 C ATOM 334 O HIS C 474 -14.146 -10.639 0.205 1.00 0.00 O ATOM 335 CB HIS C 474 -11.269 -11.811 -0.668 1.00 0.00 C ATOM 336 CG HIS C 474 -11.290 -10.571 -1.511 1.00 0.00 C ATOM 337 ND1 HIS C 474 -10.401 -9.533 -1.344 1.00 0.00 N ATOM 338 CD2 HIS C 474 -12.098 -10.209 -2.532 1.00 0.00 C ATOM 339 CE1 HIS C 474 -10.663 -8.586 -2.227 1.00 0.00 C ATOM 340 NE2 HIS C 474 -11.685 -8.973 -2.957 1.00 0.00 N ATOM 0 H HIS C 474 -11.111 -13.495 1.120 1.00 0.00 H new ATOM 0 HA HIS C 474 -11.790 -10.729 1.112 1.00 0.00 H new ATOM 0 HB2 HIS C 474 -10.234 -12.070 -0.446 1.00 0.00 H new ATOM 0 HB3 HIS C 474 -11.688 -12.637 -1.243 1.00 0.00 H new ATOM 0 HD2 HIS C 474 -12.916 -10.786 -2.937 1.00 0.00 H new ATOM 0 HE1 HIS C 474 -10.129 -7.653 -2.331 1.00 0.00 H new ATOM 0 HE2 HIS C 474 -12.104 -8.439 -3.718 1.00 0.00 H new ATOM 349 N LEU C 475 -14.135 -12.878 0.346 1.00 0.00 N ATOM 350 CA LEU C 475 -15.566 -12.983 0.123 1.00 0.00 C ATOM 351 C LEU C 475 -16.325 -12.496 1.340 1.00 0.00 C ATOM 352 O LEU C 475 -17.484 -12.100 1.244 1.00 0.00 O ATOM 353 CB LEU C 475 -15.982 -14.407 -0.243 1.00 0.00 C ATOM 354 CG LEU C 475 -15.550 -14.900 -1.630 1.00 0.00 C ATOM 355 CD1 LEU C 475 -16.224 -16.217 -1.958 1.00 0.00 C ATOM 356 CD2 LEU C 475 -15.866 -13.862 -2.700 1.00 0.00 C ATOM 0 H LEU C 475 -13.655 -13.769 0.473 1.00 0.00 H new ATOM 0 HA LEU C 475 -15.817 -12.347 -0.726 1.00 0.00 H new ATOM 0 HB2 LEU C 475 -15.574 -15.087 0.505 1.00 0.00 H new ATOM 0 HB3 LEU C 475 -17.068 -14.475 -0.177 1.00 0.00 H new ATOM 0 HG LEU C 475 -14.471 -15.054 -1.613 1.00 0.00 H new ATOM 0 HD11 LEU C 475 -15.906 -16.552 -2.945 1.00 0.00 H new ATOM 0 HD12 LEU C 475 -15.945 -16.963 -1.214 1.00 0.00 H new ATOM 0 HD13 LEU C 475 -17.306 -16.084 -1.951 1.00 0.00 H new ATOM 0 HD21 LEU C 475 -15.550 -14.236 -3.674 1.00 0.00 H new ATOM 0 HD22 LEU C 475 -16.939 -13.670 -2.715 1.00 0.00 H new ATOM 0 HD23 LEU C 475 -15.335 -12.936 -2.477 1.00 0.00 H new ATOM 368 N VAL C 476 -15.664 -12.524 2.483 1.00 0.00 N ATOM 369 CA VAL C 476 -16.246 -11.993 3.701 1.00 0.00 C ATOM 370 C VAL C 476 -16.164 -10.474 3.643 1.00 0.00 C ATOM 371 O VAL C 476 -17.142 -9.776 3.895 1.00 0.00 O ATOM 372 CB VAL C 476 -15.512 -12.507 4.965 1.00 0.00 C ATOM 373 CG1 VAL C 476 -16.215 -12.036 6.224 1.00 0.00 C ATOM 374 CG2 VAL C 476 -15.413 -14.022 4.955 1.00 0.00 C ATOM 0 H VAL C 476 -14.726 -12.908 2.593 1.00 0.00 H new ATOM 0 HA VAL C 476 -17.281 -12.327 3.770 1.00 0.00 H new ATOM 0 HB VAL C 476 -14.503 -12.095 4.956 1.00 0.00 H new ATOM 0 HG11 VAL C 476 -15.683 -12.409 7.099 1.00 0.00 H new ATOM 0 HG12 VAL C 476 -16.231 -10.946 6.246 1.00 0.00 H new ATOM 0 HG13 VAL C 476 -17.237 -12.414 6.233 1.00 0.00 H new ATOM 0 HG21 VAL C 476 -14.894 -14.359 5.852 1.00 0.00 H new ATOM 0 HG22 VAL C 476 -16.414 -14.452 4.932 1.00 0.00 H new ATOM 0 HG23 VAL C 476 -14.860 -14.345 4.073 1.00 0.00 H new ATOM 384 N LEU C 477 -14.981 -9.981 3.262 1.00 0.00 N ATOM 385 CA LEU C 477 -14.740 -8.549 3.068 1.00 0.00 C ATOM 386 C LEU C 477 -15.771 -7.970 2.113 1.00 0.00 C ATOM 387 O LEU C 477 -16.210 -6.831 2.262 1.00 0.00 O ATOM 388 CB LEU C 477 -13.343 -8.341 2.474 1.00 0.00 C ATOM 389 CG LEU C 477 -12.165 -8.739 3.356 1.00 0.00 C ATOM 390 CD1 LEU C 477 -10.857 -8.495 2.626 1.00 0.00 C ATOM 391 CD2 LEU C 477 -12.190 -7.973 4.660 1.00 0.00 C ATOM 0 H LEU C 477 -14.164 -10.564 3.080 1.00 0.00 H new ATOM 0 HA LEU C 477 -14.815 -8.046 4.032 1.00 0.00 H new ATOM 0 HB2 LEU C 477 -13.280 -8.906 1.544 1.00 0.00 H new ATOM 0 HB3 LEU C 477 -13.235 -7.288 2.215 1.00 0.00 H new ATOM 0 HG LEU C 477 -12.248 -9.802 3.582 1.00 0.00 H new ATOM 0 HD11 LEU C 477 -10.024 -8.783 3.267 1.00 0.00 H new ATOM 0 HD12 LEU C 477 -10.834 -9.088 1.712 1.00 0.00 H new ATOM 0 HD13 LEU C 477 -10.772 -7.438 2.374 1.00 0.00 H new ATOM 0 HD21 LEU C 477 -11.341 -8.272 5.274 1.00 0.00 H new ATOM 0 HD22 LEU C 477 -12.131 -6.904 4.455 1.00 0.00 H new ATOM 0 HD23 LEU C 477 -13.117 -8.190 5.192 1.00 0.00 H new ATOM 403 N GLN C 478 -16.139 -8.784 1.135 1.00 0.00 N ATOM 404 CA GLN C 478 -17.120 -8.446 0.127 1.00 0.00 C ATOM 405 C GLN C 478 -18.406 -7.905 0.752 1.00 0.00 C ATOM 406 O GLN C 478 -18.920 -6.878 0.326 1.00 0.00 O ATOM 407 CB GLN C 478 -17.421 -9.693 -0.702 1.00 0.00 C ATOM 408 CG GLN C 478 -18.453 -9.500 -1.789 1.00 0.00 C ATOM 409 CD GLN C 478 -18.761 -10.787 -2.540 1.00 0.00 C ATOM 410 OE1 GLN C 478 -18.686 -11.916 -1.846 1.00 0.00 O flip ATOM 411 NE2 GLN C 478 -19.077 -10.765 -3.728 1.00 0.00 N flip ATOM 0 H GLN C 478 -15.751 -9.721 1.022 1.00 0.00 H new ATOM 0 HA GLN C 478 -16.713 -7.660 -0.509 1.00 0.00 H new ATOM 0 HB2 GLN C 478 -16.494 -10.041 -1.159 1.00 0.00 H new ATOM 0 HB3 GLN C 478 -17.763 -10.483 -0.033 1.00 0.00 H new ATOM 0 HG2 GLN C 478 -19.371 -9.113 -1.348 1.00 0.00 H new ATOM 0 HG3 GLN C 478 -18.096 -8.749 -2.494 1.00 0.00 H new ATOM 0 HE21 GLN C 478 -19.123 -9.877 -4.227 1.00 0.00 H new ATOM 0 HE22 GLN C 478 -19.293 -11.635 -4.215 1.00 0.00 H new ATOM 420 N ASP C 479 -18.902 -8.589 1.775 1.00 0.00 N ATOM 421 CA ASP C 479 -20.153 -8.191 2.419 1.00 0.00 C ATOM 422 C ASP C 479 -19.924 -7.124 3.466 1.00 0.00 C ATOM 423 O ASP C 479 -20.805 -6.339 3.754 1.00 0.00 O ATOM 424 CB ASP C 479 -20.839 -9.386 3.056 1.00 0.00 C ATOM 425 CG ASP C 479 -22.236 -9.054 3.562 1.00 0.00 C ATOM 426 OD1 ASP C 479 -23.168 -8.963 2.725 1.00 0.00 O ATOM 427 OD2 ASP C 479 -22.407 -8.878 4.799 1.00 0.00 O ATOM 0 H ASP C 479 -18.463 -9.417 2.177 1.00 0.00 H new ATOM 0 HA ASP C 479 -20.796 -7.781 1.641 1.00 0.00 H new ATOM 0 HB2 ASP C 479 -20.902 -10.195 2.328 1.00 0.00 H new ATOM 0 HB3 ASP C 479 -20.232 -9.750 3.885 1.00 0.00 H new ATOM 432 N LEU C 480 -18.731 -7.082 4.022 1.00 0.00 N ATOM 433 CA LEU C 480 -18.415 -6.096 5.040 1.00 0.00 C ATOM 434 C LEU C 480 -18.441 -4.703 4.464 1.00 0.00 C ATOM 435 O LEU C 480 -18.800 -3.756 5.140 1.00 0.00 O ATOM 436 CB LEU C 480 -17.071 -6.370 5.716 1.00 0.00 C ATOM 437 CG LEU C 480 -17.119 -7.147 7.031 1.00 0.00 C ATOM 438 CD1 LEU C 480 -18.235 -6.641 7.931 1.00 0.00 C ATOM 439 CD2 LEU C 480 -17.291 -8.602 6.770 1.00 0.00 C ATOM 0 H LEU C 480 -17.966 -7.715 3.789 1.00 0.00 H new ATOM 0 HA LEU C 480 -19.185 -6.175 5.807 1.00 0.00 H new ATOM 0 HB2 LEU C 480 -16.442 -6.921 5.016 1.00 0.00 H new ATOM 0 HB3 LEU C 480 -16.580 -5.414 5.901 1.00 0.00 H new ATOM 0 HG LEU C 480 -16.171 -6.989 7.545 1.00 0.00 H new ATOM 0 HD11 LEU C 480 -18.243 -7.214 8.858 1.00 0.00 H new ATOM 0 HD12 LEU C 480 -18.071 -5.587 8.157 1.00 0.00 H new ATOM 0 HD13 LEU C 480 -19.193 -6.758 7.424 1.00 0.00 H new ATOM 0 HD21 LEU C 480 -17.323 -9.140 7.717 1.00 0.00 H new ATOM 0 HD22 LEU C 480 -18.222 -8.767 6.227 1.00 0.00 H new ATOM 0 HD23 LEU C 480 -16.454 -8.966 6.174 1.00 0.00 H new ATOM 451 N GLN C 481 -18.067 -4.579 3.208 1.00 0.00 N ATOM 452 CA GLN C 481 -18.118 -3.296 2.540 1.00 0.00 C ATOM 453 C GLN C 481 -19.576 -2.903 2.312 1.00 0.00 C ATOM 454 O GLN C 481 -19.900 -1.732 2.125 1.00 0.00 O ATOM 455 CB GLN C 481 -17.406 -3.370 1.195 1.00 0.00 C ATOM 456 CG GLN C 481 -15.964 -3.840 1.264 1.00 0.00 C ATOM 457 CD GLN C 481 -15.048 -2.898 2.017 1.00 0.00 C ATOM 458 OE1 GLN C 481 -15.279 -1.687 2.076 1.00 0.00 O ATOM 459 NE2 GLN C 481 -13.987 -3.446 2.574 1.00 0.00 N ATOM 0 H GLN C 481 -17.726 -5.348 2.631 1.00 0.00 H new ATOM 0 HA GLN C 481 -17.622 -2.553 3.165 1.00 0.00 H new ATOM 0 HB2 GLN C 481 -17.962 -4.043 0.542 1.00 0.00 H new ATOM 0 HB3 GLN C 481 -17.430 -2.384 0.732 1.00 0.00 H new ATOM 0 HG2 GLN C 481 -15.934 -4.820 1.741 1.00 0.00 H new ATOM 0 HG3 GLN C 481 -15.585 -3.967 0.250 1.00 0.00 H new ATOM 0 HE21 GLN C 481 -13.835 -4.452 2.501 1.00 0.00 H new ATOM 0 HE22 GLN C 481 -13.318 -2.864 3.078 1.00 0.00 H new ATOM 468 N LEU C 482 -20.445 -3.906 2.346 1.00 0.00 N ATOM 469 CA LEU C 482 -21.853 -3.728 2.081 1.00 0.00 C ATOM 470 C LEU C 482 -22.640 -3.492 3.371 1.00 0.00 C ATOM 471 O LEU C 482 -23.384 -2.518 3.486 1.00 0.00 O ATOM 472 CB LEU C 482 -22.403 -4.970 1.371 1.00 0.00 C ATOM 473 CG LEU C 482 -21.570 -5.511 0.204 1.00 0.00 C ATOM 474 CD1 LEU C 482 -22.299 -6.636 -0.510 1.00 0.00 C ATOM 475 CD2 LEU C 482 -21.200 -4.405 -0.766 1.00 0.00 C ATOM 0 H LEU C 482 -20.183 -4.868 2.560 1.00 0.00 H new ATOM 0 HA LEU C 482 -21.968 -2.850 1.446 1.00 0.00 H new ATOM 0 HB2 LEU C 482 -22.514 -5.765 2.109 1.00 0.00 H new ATOM 0 HB3 LEU C 482 -23.401 -4.738 1.000 1.00 0.00 H new ATOM 0 HG LEU C 482 -20.646 -5.916 0.617 1.00 0.00 H new ATOM 0 HD11 LEU C 482 -21.686 -7.002 -1.334 1.00 0.00 H new ATOM 0 HD12 LEU C 482 -22.488 -7.449 0.191 1.00 0.00 H new ATOM 0 HD13 LEU C 482 -23.247 -6.265 -0.900 1.00 0.00 H new ATOM 0 HD21 LEU C 482 -20.609 -4.820 -1.583 1.00 0.00 H new ATOM 0 HD22 LEU C 482 -22.108 -3.954 -1.167 1.00 0.00 H new ATOM 0 HD23 LEU C 482 -20.617 -3.645 -0.246 1.00 0.00 H new ATOM 487 N THR C 483 -22.471 -4.381 4.341 1.00 0.00 N ATOM 488 CA THR C 483 -23.232 -4.309 5.574 1.00 0.00 C ATOM 489 C THR C 483 -22.450 -3.626 6.683 1.00 0.00 C ATOM 490 O THR C 483 -23.033 -2.972 7.545 1.00 0.00 O ATOM 491 CB THR C 483 -23.655 -5.715 6.042 1.00 0.00 C ATOM 492 OG1 THR C 483 -22.496 -6.548 6.166 1.00 0.00 O ATOM 493 CG2 THR C 483 -24.628 -6.339 5.053 1.00 0.00 C ATOM 0 H THR C 483 -21.813 -5.159 4.295 1.00 0.00 H new ATOM 0 HA THR C 483 -24.120 -3.714 5.361 1.00 0.00 H new ATOM 0 HB THR C 483 -24.150 -5.627 7.009 1.00 0.00 H new ATOM 0 HG1 THR C 483 -22.617 -7.359 5.630 1.00 0.00 H new ATOM 0 HG21 THR C 483 -24.915 -7.331 5.401 1.00 0.00 H new ATOM 0 HG22 THR C 483 -25.516 -5.712 4.972 1.00 0.00 H new ATOM 0 HG23 THR C 483 -24.151 -6.421 4.076 1.00 0.00 H new ATOM 501 N ARG C 484 -21.121 -3.780 6.652 1.00 0.00 N ATOM 502 CA ARG C 484 -20.226 -3.207 7.657 1.00 0.00 C ATOM 503 C ARG C 484 -20.504 -3.780 9.044 1.00 0.00 C ATOM 504 O ARG C 484 -20.057 -3.239 10.053 1.00 0.00 O ATOM 505 CB ARG C 484 -20.347 -1.693 7.685 1.00 0.00 C ATOM 506 CG ARG C 484 -20.154 -1.033 6.340 1.00 0.00 C ATOM 507 CD ARG C 484 -20.302 0.460 6.458 1.00 0.00 C ATOM 508 NE ARG C 484 -20.222 1.131 5.163 1.00 0.00 N ATOM 509 CZ ARG C 484 -19.273 2.013 4.826 1.00 0.00 C ATOM 510 NH1 ARG C 484 -18.278 2.286 5.666 1.00 0.00 N ATOM 511 NH2 ARG C 484 -19.316 2.614 3.645 1.00 0.00 N ATOM 0 H ARG C 484 -20.637 -4.308 5.926 1.00 0.00 H new ATOM 0 HA ARG C 484 -19.207 -3.475 7.377 1.00 0.00 H new ATOM 0 HB2 ARG C 484 -21.330 -1.425 8.071 1.00 0.00 H new ATOM 0 HB3 ARG C 484 -19.611 -1.293 8.383 1.00 0.00 H new ATOM 0 HG2 ARG C 484 -19.167 -1.276 5.948 1.00 0.00 H new ATOM 0 HG3 ARG C 484 -20.884 -1.421 5.630 1.00 0.00 H new ATOM 0 HD2 ARG C 484 -21.259 0.692 6.926 1.00 0.00 H new ATOM 0 HD3 ARG C 484 -19.524 0.849 7.115 1.00 0.00 H new ATOM 0 HE ARG C 484 -20.937 0.913 4.469 1.00 0.00 H new ATOM 0 HH11 ARG C 484 -18.235 1.822 6.573 1.00 0.00 H new ATOM 0 HH12 ARG C 484 -17.558 2.959 5.403 1.00 0.00 H new ATOM 0 HH21 ARG C 484 -20.072 2.404 2.993 1.00 0.00 H new ATOM 0 HH22 ARG C 484 -18.593 3.286 3.388 1.00 0.00 H new ATOM 525 N SER C 485 -21.214 -4.884 9.087 1.00 0.00 N ATOM 526 CA SER C 485 -21.571 -5.502 10.335 1.00 0.00 C ATOM 527 C SER C 485 -21.212 -6.963 10.312 1.00 0.00 C ATOM 528 O SER C 485 -21.864 -7.748 9.631 1.00 0.00 O ATOM 529 CB SER C 485 -23.065 -5.346 10.595 1.00 0.00 C ATOM 530 OG SER C 485 -23.429 -5.891 11.853 1.00 0.00 O ATOM 0 H SER C 485 -21.557 -5.374 8.261 1.00 0.00 H new ATOM 0 HA SER C 485 -21.018 -5.010 11.135 1.00 0.00 H new ATOM 0 HB2 SER C 485 -23.334 -4.290 10.562 1.00 0.00 H new ATOM 0 HB3 SER C 485 -23.628 -5.843 9.805 1.00 0.00 H new ATOM 0 HG SER C 485 -24.196 -5.399 12.213 1.00 0.00 H new ATOM 536 N VAL C 486 -20.171 -7.331 11.046 1.00 0.00 N ATOM 537 CA VAL C 486 -19.743 -8.714 11.104 1.00 0.00 C ATOM 538 C VAL C 486 -20.860 -9.628 11.601 1.00 0.00 C ATOM 539 O VAL C 486 -20.956 -10.782 11.183 1.00 0.00 O ATOM 540 CB VAL C 486 -18.481 -8.900 11.975 1.00 0.00 C ATOM 541 CG1 VAL C 486 -17.373 -8.010 11.485 1.00 0.00 C ATOM 542 CG2 VAL C 486 -18.758 -8.643 13.438 1.00 0.00 C ATOM 0 H VAL C 486 -19.611 -6.689 11.607 1.00 0.00 H new ATOM 0 HA VAL C 486 -19.490 -8.997 10.082 1.00 0.00 H new ATOM 0 HB VAL C 486 -18.171 -9.941 11.883 1.00 0.00 H new ATOM 0 HG11 VAL C 486 -16.490 -8.152 12.108 1.00 0.00 H new ATOM 0 HG12 VAL C 486 -17.133 -8.263 10.452 1.00 0.00 H new ATOM 0 HG13 VAL C 486 -17.692 -6.969 11.539 1.00 0.00 H new ATOM 0 HG21 VAL C 486 -17.842 -8.785 14.012 1.00 0.00 H new ATOM 0 HG22 VAL C 486 -19.112 -7.620 13.567 1.00 0.00 H new ATOM 0 HG23 VAL C 486 -19.520 -9.338 13.792 1.00 0.00 H new ATOM 552 N GLU C 487 -21.712 -9.105 12.480 1.00 0.00 N ATOM 553 CA GLU C 487 -22.834 -9.871 12.984 1.00 0.00 C ATOM 554 C GLU C 487 -23.791 -10.205 11.858 1.00 0.00 C ATOM 555 O GLU C 487 -24.250 -11.344 11.739 1.00 0.00 O ATOM 556 CB GLU C 487 -23.556 -9.120 14.100 1.00 0.00 C ATOM 557 CG GLU C 487 -22.722 -8.953 15.357 1.00 0.00 C ATOM 558 CD GLU C 487 -22.209 -10.275 15.889 1.00 0.00 C ATOM 559 OE1 GLU C 487 -23.026 -11.098 16.340 1.00 0.00 O ATOM 560 OE2 GLU C 487 -20.983 -10.500 15.863 1.00 0.00 O ATOM 0 H GLU C 487 -21.642 -8.158 12.853 1.00 0.00 H new ATOM 0 HA GLU C 487 -22.450 -10.801 13.403 1.00 0.00 H new ATOM 0 HB2 GLU C 487 -23.848 -8.136 13.734 1.00 0.00 H new ATOM 0 HB3 GLU C 487 -24.474 -9.652 14.351 1.00 0.00 H new ATOM 0 HG2 GLU C 487 -21.877 -8.297 15.145 1.00 0.00 H new ATOM 0 HG3 GLU C 487 -23.321 -8.463 16.125 1.00 0.00 H new ATOM 567 N ILE C 488 -24.073 -9.215 11.011 1.00 0.00 N ATOM 568 CA ILE C 488 -24.940 -9.441 9.871 1.00 0.00 C ATOM 569 C ILE C 488 -24.239 -10.331 8.873 1.00 0.00 C ATOM 570 O ILE C 488 -24.772 -11.319 8.483 1.00 0.00 O ATOM 571 CB ILE C 488 -25.364 -8.130 9.170 1.00 0.00 C ATOM 572 CG1 ILE C 488 -25.998 -7.164 10.174 1.00 0.00 C ATOM 573 CG2 ILE C 488 -26.342 -8.431 8.033 1.00 0.00 C ATOM 574 CD1 ILE C 488 -26.456 -5.853 9.564 1.00 0.00 C ATOM 0 H ILE C 488 -23.716 -8.263 11.096 1.00 0.00 H new ATOM 0 HA ILE C 488 -25.845 -9.917 10.248 1.00 0.00 H new ATOM 0 HB ILE C 488 -24.475 -7.658 8.752 1.00 0.00 H new ATOM 0 HG12 ILE C 488 -26.852 -7.653 10.643 1.00 0.00 H new ATOM 0 HG13 ILE C 488 -25.278 -6.953 10.964 1.00 0.00 H new ATOM 0 HG21 ILE C 488 -26.633 -7.500 7.547 1.00 0.00 H new ATOM 0 HG22 ILE C 488 -25.863 -9.086 7.305 1.00 0.00 H new ATOM 0 HG23 ILE C 488 -27.228 -8.922 8.435 1.00 0.00 H new ATOM 0 HD11 ILE C 488 -26.894 -5.224 10.339 1.00 0.00 H new ATOM 0 HD12 ILE C 488 -25.603 -5.341 9.120 1.00 0.00 H new ATOM 0 HD13 ILE C 488 -27.201 -6.051 8.794 1.00 0.00 H new ATOM 586 N THR C 489 -23.027 -9.953 8.488 1.00 0.00 N ATOM 587 CA THR C 489 -22.202 -10.718 7.562 1.00 0.00 C ATOM 588 C THR C 489 -22.153 -12.216 7.915 1.00 0.00 C ATOM 589 O THR C 489 -22.292 -13.061 7.040 1.00 0.00 O ATOM 590 CB THR C 489 -20.773 -10.151 7.533 1.00 0.00 C ATOM 591 OG1 THR C 489 -20.820 -8.769 7.167 1.00 0.00 O ATOM 592 CG2 THR C 489 -19.900 -10.901 6.541 1.00 0.00 C ATOM 0 H THR C 489 -22.583 -9.095 8.815 1.00 0.00 H new ATOM 0 HA THR C 489 -22.662 -10.626 6.578 1.00 0.00 H new ATOM 0 HB THR C 489 -20.340 -10.267 8.527 1.00 0.00 H new ATOM 0 HG1 THR C 489 -21.307 -8.671 6.322 1.00 0.00 H new ATOM 0 HG21 THR C 489 -18.897 -10.475 6.545 1.00 0.00 H new ATOM 0 HG22 THR C 489 -19.849 -11.953 6.823 1.00 0.00 H new ATOM 0 HG23 THR C 489 -20.327 -10.814 5.542 1.00 0.00 H new ATOM 600 N THR C 490 -21.977 -12.541 9.193 1.00 0.00 N ATOM 601 CA THR C 490 -21.925 -13.937 9.608 1.00 0.00 C ATOM 602 C THR C 490 -23.280 -14.611 9.378 1.00 0.00 C ATOM 603 O THR C 490 -23.359 -15.710 8.822 1.00 0.00 O ATOM 604 CB THR C 490 -21.514 -14.078 11.086 1.00 0.00 C ATOM 605 OG1 THR C 490 -20.321 -13.316 11.334 1.00 0.00 O ATOM 606 CG2 THR C 490 -21.248 -15.531 11.416 1.00 0.00 C ATOM 0 H THR C 490 -21.869 -11.865 9.950 1.00 0.00 H new ATOM 0 HA THR C 490 -21.167 -14.431 9.000 1.00 0.00 H new ATOM 0 HB THR C 490 -22.326 -13.706 11.711 1.00 0.00 H new ATOM 0 HG1 THR C 490 -20.534 -12.360 11.314 1.00 0.00 H new ATOM 0 HG21 THR C 490 -20.958 -15.619 12.463 1.00 0.00 H new ATOM 0 HG22 THR C 490 -22.151 -16.116 11.239 1.00 0.00 H new ATOM 0 HG23 THR C 490 -20.443 -15.906 10.784 1.00 0.00 H new ATOM 614 N ASP C 491 -24.339 -13.925 9.786 1.00 0.00 N ATOM 615 CA ASP C 491 -25.710 -14.403 9.582 1.00 0.00 C ATOM 616 C ASP C 491 -26.009 -14.436 8.091 1.00 0.00 C ATOM 617 O ASP C 491 -26.709 -15.315 7.590 1.00 0.00 O ATOM 618 CB ASP C 491 -26.682 -13.462 10.306 1.00 0.00 C ATOM 619 CG ASP C 491 -28.135 -13.727 9.989 1.00 0.00 C ATOM 620 OD1 ASP C 491 -28.709 -14.686 10.543 1.00 0.00 O ATOM 621 OD2 ASP C 491 -28.720 -12.961 9.198 1.00 0.00 O ATOM 0 H ASP C 491 -24.279 -13.027 10.265 1.00 0.00 H new ATOM 0 HA ASP C 491 -25.825 -15.409 9.987 1.00 0.00 H new ATOM 0 HB2 ASP C 491 -26.531 -13.556 11.381 1.00 0.00 H new ATOM 0 HB3 ASP C 491 -26.443 -12.432 10.039 1.00 0.00 H new ATOM 626 N ASN C 492 -25.444 -13.470 7.402 1.00 0.00 N ATOM 627 CA ASN C 492 -25.541 -13.338 5.971 1.00 0.00 C ATOM 628 C ASN C 492 -24.992 -14.590 5.288 1.00 0.00 C ATOM 629 O ASN C 492 -25.657 -15.194 4.442 1.00 0.00 O ATOM 630 CB ASN C 492 -24.770 -12.078 5.508 1.00 0.00 C ATOM 631 CG ASN C 492 -25.682 -10.903 5.207 1.00 0.00 C ATOM 632 OD1 ASN C 492 -26.865 -11.077 4.926 1.00 0.00 O ATOM 633 ND2 ASN C 492 -25.126 -9.709 5.213 1.00 0.00 N ATOM 0 H ASN C 492 -24.888 -12.734 7.838 1.00 0.00 H new ATOM 0 HA ASN C 492 -26.589 -13.228 5.691 1.00 0.00 H new ATOM 0 HB2 ASN C 492 -24.058 -11.790 6.281 1.00 0.00 H new ATOM 0 HB3 ASN C 492 -24.192 -12.320 4.616 1.00 0.00 H new ATOM 0 HD21 ASN C 492 -25.682 -8.886 4.979 1.00 0.00 H new ATOM 0 HD22 ASN C 492 -24.140 -9.607 5.452 1.00 0.00 H new ATOM 640 N ILE C 493 -23.775 -14.982 5.676 1.00 0.00 N ATOM 641 CA ILE C 493 -23.135 -16.197 5.157 1.00 0.00 C ATOM 642 C ILE C 493 -24.063 -17.390 5.337 1.00 0.00 C ATOM 643 O ILE C 493 -24.288 -18.176 4.412 1.00 0.00 O ATOM 644 CB ILE C 493 -21.822 -16.513 5.926 1.00 0.00 C ATOM 645 CG1 ILE C 493 -20.841 -15.358 5.845 1.00 0.00 C ATOM 646 CG2 ILE C 493 -21.175 -17.779 5.388 1.00 0.00 C ATOM 647 CD1 ILE C 493 -19.682 -15.489 6.809 1.00 0.00 C ATOM 0 H ILE C 493 -23.208 -14.472 6.353 1.00 0.00 H new ATOM 0 HA ILE C 493 -22.916 -16.023 4.103 1.00 0.00 H new ATOM 0 HB ILE C 493 -22.086 -16.666 6.973 1.00 0.00 H new ATOM 0 HG12 ILE C 493 -20.453 -15.290 4.829 1.00 0.00 H new ATOM 0 HG13 ILE C 493 -21.370 -14.426 6.047 1.00 0.00 H new ATOM 0 HG21 ILE C 493 -20.257 -17.982 5.940 1.00 0.00 H new ATOM 0 HG22 ILE C 493 -21.862 -18.617 5.506 1.00 0.00 H new ATOM 0 HG23 ILE C 493 -20.941 -17.647 4.332 1.00 0.00 H new ATOM 0 HD11 ILE C 493 -19.019 -14.631 6.699 1.00 0.00 H new ATOM 0 HD12 ILE C 493 -20.061 -15.527 7.830 1.00 0.00 H new ATOM 0 HD13 ILE C 493 -19.130 -16.404 6.593 1.00 0.00 H new ATOM 659 N LEU C 494 -24.614 -17.483 6.532 1.00 0.00 N ATOM 660 CA LEU C 494 -25.469 -18.585 6.937 1.00 0.00 C ATOM 661 C LEU C 494 -26.794 -18.638 6.164 1.00 0.00 C ATOM 662 O LEU C 494 -27.473 -19.665 6.162 1.00 0.00 O ATOM 663 CB LEU C 494 -25.711 -18.496 8.441 1.00 0.00 C ATOM 664 CG LEU C 494 -24.464 -18.702 9.306 1.00 0.00 C ATOM 665 CD1 LEU C 494 -24.722 -18.279 10.738 1.00 0.00 C ATOM 666 CD2 LEU C 494 -24.014 -20.154 9.255 1.00 0.00 C ATOM 0 H LEU C 494 -24.478 -16.784 7.262 1.00 0.00 H new ATOM 0 HA LEU C 494 -24.954 -19.515 6.696 1.00 0.00 H new ATOM 0 HB2 LEU C 494 -26.137 -17.519 8.669 1.00 0.00 H new ATOM 0 HB3 LEU C 494 -26.456 -19.241 8.720 1.00 0.00 H new ATOM 0 HG LEU C 494 -23.667 -18.076 8.905 1.00 0.00 H new ATOM 0 HD11 LEU C 494 -23.821 -18.435 11.331 1.00 0.00 H new ATOM 0 HD12 LEU C 494 -24.994 -17.224 10.762 1.00 0.00 H new ATOM 0 HD13 LEU C 494 -25.537 -18.873 11.152 1.00 0.00 H new ATOM 0 HD21 LEU C 494 -23.127 -20.282 9.875 1.00 0.00 H new ATOM 0 HD22 LEU C 494 -24.813 -20.796 9.627 1.00 0.00 H new ATOM 0 HD23 LEU C 494 -23.780 -20.426 8.226 1.00 0.00 H new ATOM 678 N GLU C 495 -27.172 -17.542 5.521 1.00 0.00 N ATOM 679 CA GLU C 495 -28.392 -17.534 4.722 1.00 0.00 C ATOM 680 C GLU C 495 -28.100 -17.572 3.228 1.00 0.00 C ATOM 681 O GLU C 495 -29.016 -17.517 2.410 1.00 0.00 O ATOM 682 CB GLU C 495 -29.290 -16.347 5.058 1.00 0.00 C ATOM 683 CG GLU C 495 -30.076 -16.520 6.344 1.00 0.00 C ATOM 684 CD GLU C 495 -31.268 -15.598 6.419 1.00 0.00 C ATOM 685 OE1 GLU C 495 -32.288 -15.887 5.764 1.00 0.00 O ATOM 686 OE2 GLU C 495 -31.191 -14.573 7.122 1.00 0.00 O ATOM 0 H GLU C 495 -26.662 -16.659 5.535 1.00 0.00 H new ATOM 0 HA GLU C 495 -28.929 -18.446 4.982 1.00 0.00 H new ATOM 0 HB2 GLU C 495 -28.676 -15.449 5.136 1.00 0.00 H new ATOM 0 HB3 GLU C 495 -29.987 -16.186 4.236 1.00 0.00 H new ATOM 0 HG2 GLU C 495 -30.414 -17.553 6.424 1.00 0.00 H new ATOM 0 HG3 GLU C 495 -29.421 -16.332 7.195 1.00 0.00 H new ATOM 693 N GLY C 496 -26.833 -17.666 2.870 1.00 0.00 N ATOM 694 CA GLY C 496 -26.476 -17.759 1.464 1.00 0.00 C ATOM 695 C GLY C 496 -26.142 -16.424 0.826 1.00 0.00 C ATOM 696 O GLY C 496 -26.071 -16.320 -0.395 1.00 0.00 O ATOM 0 H GLY C 496 -26.046 -17.680 3.518 1.00 0.00 H new ATOM 0 HA2 GLY C 496 -25.619 -18.425 1.360 1.00 0.00 H new ATOM 0 HA3 GLY C 496 -27.302 -18.215 0.919 1.00 0.00 H new ATOM 700 N ARG C 497 -25.949 -15.403 1.643 1.00 0.00 N ATOM 701 CA ARG C 497 -25.558 -14.081 1.142 1.00 0.00 C ATOM 702 C ARG C 497 -24.167 -14.160 0.537 1.00 0.00 C ATOM 703 O ARG C 497 -23.877 -13.542 -0.489 1.00 0.00 O ATOM 704 CB ARG C 497 -25.568 -13.076 2.291 1.00 0.00 C ATOM 705 CG ARG C 497 -24.918 -11.727 1.992 1.00 0.00 C ATOM 706 CD ARG C 497 -25.784 -10.848 1.116 1.00 0.00 C ATOM 707 NE ARG C 497 -25.314 -9.464 1.137 1.00 0.00 N ATOM 708 CZ ARG C 497 -25.905 -8.452 0.502 1.00 0.00 C ATOM 709 NH1 ARG C 497 -26.972 -8.675 -0.264 1.00 0.00 N ATOM 710 NH2 ARG C 497 -25.427 -7.219 0.631 1.00 0.00 N ATOM 0 H ARG C 497 -26.055 -15.456 2.656 1.00 0.00 H new ATOM 0 HA ARG C 497 -26.264 -13.757 0.377 1.00 0.00 H new ATOM 0 HB2 ARG C 497 -26.602 -12.903 2.590 1.00 0.00 H new ATOM 0 HB3 ARG C 497 -25.060 -13.523 3.145 1.00 0.00 H new ATOM 0 HG2 ARG C 497 -24.713 -11.210 2.930 1.00 0.00 H new ATOM 0 HG3 ARG C 497 -23.958 -11.890 1.502 1.00 0.00 H new ATOM 0 HD2 ARG C 497 -25.773 -11.224 0.093 1.00 0.00 H new ATOM 0 HD3 ARG C 497 -26.817 -10.890 1.460 1.00 0.00 H new ATOM 0 HE ARG C 497 -24.473 -9.258 1.676 1.00 0.00 H new ATOM 0 HH11 ARG C 497 -27.338 -9.622 -0.365 1.00 0.00 H new ATOM 0 HH12 ARG C 497 -27.423 -7.899 -0.749 1.00 0.00 H new ATOM 0 HH21 ARG C 497 -24.609 -7.048 1.215 1.00 0.00 H new ATOM 0 HH22 ARG C 497 -25.878 -6.444 0.146 1.00 0.00 H new ATOM 724 N ILE C 498 -23.320 -14.935 1.179 1.00 0.00 N ATOM 725 CA ILE C 498 -21.964 -15.128 0.729 1.00 0.00 C ATOM 726 C ILE C 498 -21.726 -16.597 0.480 1.00 0.00 C ATOM 727 O ILE C 498 -21.654 -17.390 1.423 1.00 0.00 O ATOM 728 CB ILE C 498 -20.945 -14.630 1.770 1.00 0.00 C ATOM 729 CG1 ILE C 498 -21.281 -13.207 2.207 1.00 0.00 C ATOM 730 CG2 ILE C 498 -19.540 -14.689 1.187 1.00 0.00 C ATOM 731 CD1 ILE C 498 -20.520 -12.748 3.428 1.00 0.00 C ATOM 0 H ILE C 498 -23.555 -15.448 2.028 1.00 0.00 H new ATOM 0 HA ILE C 498 -21.829 -14.553 -0.187 1.00 0.00 H new ATOM 0 HB ILE C 498 -20.991 -15.277 2.646 1.00 0.00 H new ATOM 0 HG12 ILE C 498 -21.072 -12.525 1.383 1.00 0.00 H new ATOM 0 HG13 ILE C 498 -22.350 -13.142 2.411 1.00 0.00 H new ATOM 0 HG21 ILE C 498 -18.823 -14.335 1.928 1.00 0.00 H new ATOM 0 HG22 ILE C 498 -19.302 -15.717 0.914 1.00 0.00 H new ATOM 0 HG23 ILE C 498 -19.487 -14.057 0.301 1.00 0.00 H new ATOM 0 HD11 ILE C 498 -20.813 -11.728 3.677 1.00 0.00 H new ATOM 0 HD12 ILE C 498 -20.747 -13.406 4.267 1.00 0.00 H new ATOM 0 HD13 ILE C 498 -19.450 -12.779 3.223 1.00 0.00 H new